SimplifySplittingChemicals
Simplify your train:test Splitting for Chemicals in Machine Learning
Online Documentation
Click here to read the docuemtntation
TODO List
- add directory strucure
- tests and methods signatures
- github actions
- literature search for splitting methods to implement
Directory Structure
Directory structure
SimplifySplittingChemicals
│ README.md
|
└───simsplitchem
│ │ __init__.py
│ │ simsplitchem.py
│ │
│ └───samplers
│ │ __init__.py
| | abstract_sampler.py
| | random.py
| | max_min.py
| | kennard_stone.py
│ └───utils
│ │ __init__.py
│ │ AIMSIM_wrappers.py
│
└───test
└───docs
└───examples
